| SpectraBase Spectrum ID |
7EJiDimhp9V |
| Name |
N-[3-(3''-Cyano-5'-phenyl-2'-oxo-2',3'-dihydro-1H-pyrrol-1'-yl)-4-phenylthiazol-2(3H)-ylidene]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.115047008 u |
| Formula |
C27H18N4O2S |
| InChI |
InChI=1S/C27H18N4O2S/c28-17-22-16-23(19-10-4-1-5-11-19)30(26(22)33)31-24(20-12-6-2-7-13-20)18-34-27(31)29-25(32)21-14-8-3-9-15-21/h1-16,18,22H/b29-27- |
| InChIKey |
MIQCZMDOBQXFPF-OHYPFYFLSA-N |
| Molecular Weight |
462.527 g/mol |
| SMILES |
C=1(N(N2\C(=N\C(=O)C3=CC=CC=C3)SC=C2C=2C=CC=CC2)C(C(C1)C#N)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943498 |
![N-[3-(3''-Cyano-5'-phenyl-2'-oxo-2',3'-dihydro-1H-pyrrol-1'-yl)-4-phenylthiazol-2(3H)-ylidene]benzamide](/api/spectrum/7EJiDimhp9V/structure.png?h=300&w=458 "N-[3-(3''-Cyano-5'-phenyl-2'-oxo-2',3'-dihydro-1H-pyrrol-1'-yl)-4-phenylthiazol-2(3H)-ylidene]benzamide")
